SCHEMBL86044

SCHEMBL86044

NC(=O)/C(=C1\Nc2ccc(NC(=O)C3CC3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.41
AURKA O14965 2/20 0.41
LCK P06239 1/20 0.41
IGF1R P08069 1/20 0.41
EIF2AK2 P19525 1/20 0.41
SYK P43405 1/20 0.41
BMX P51813 1/20 0.41
KDR P35968 10/20 0.40
TGFBR1 P36897 2/20 0.40
TGFBR2 P37173 2/20 0.40
SMYD3 Q9H7B4 1/20 0.38
EGFR P00533 1/20 0.38
ERBB4 Q15303 1/20 0.38
GSK3B P49841 2/20 0.37
MAPK14 Q16539 1/20 0.37
RAF1 P04049 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL86099 0.93 KDR (0.43) BRAFKDRGSK3B
SCHEMBL86197 0.88 KDR (0.43) KDRTGFBR1RAF1
SCHEMBL86042 0.88 KDR (0.43) KDRTGFBR1RAF1
SCHEMBL85793 0.86 PARP1 (0.39) SYKGSK3BRAF1
SCHEMBL76916 0.86 PARP1 (0.39) SYKGSK3BRAF1
SCHEMBL76914 0.86 PARP1 (0.39) SYKGSK3BRAF1
SCHEMBL76915 0.86 PARP1 (0.39) SYKGSK3BRAF1
SCHEMBL86447 0.86 RAF1 (0.39) SYKRAF1
SCHEMBL86072 0.86 PARP1 (0.39) KDRGSK3BRAF1
SCHEMBL78166 0.86 PARP1 (0.39) KDRGSK3BRAF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 BRAF 108/4885AURKA 34/4885LCK 386/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.